SCHEMBL4027997

SCHEMBL4027997

CCCn1nc(-c2ccc(OC)cc2)c2cccc(Cl)c21

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.73
THRB P10828 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM2 Q14416 1/20 0.39
RORC P51449 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4025992 0.92 ESR1 (0.69) ESR1THRBRXFP1ALDH1A1KDM4E
SCHEMBL4035102 0.87 ESR1 (0.56) ESR1THRBRXFP1ALDH1A1KDM4E
SCHEMBL4027614 0.86 ESR1 (0.55) ESR1THRBRXFP1ALDH1A1KDM4E
SCHEMBL4034796 0.86 ESR1 (0.73) ESR1THRBRXFP1ALDH1A1KDM4E
SCHEMBL4031181 0.85 ESR1 (0.54) ESR1THRBRXFP1ALDH1A1KDM4E
SCHEMBL4031726 0.85 ESR1 (1.00) ESR1ALDH1A1KDM4EMAPTMEN1
SCHEMBL4030848 0.84 ESR1 (0.65) ESR1ALDH1A1KDM4EHPGDMEN1
SCHEMBL4030378 0.84 ESR1 (0.53) ESR1THRBRXFP1ALDH1A1KDM4E
SCHEMBL4029785 0.84 ESR1 (0.68) ESR1THRBRXFP1ALDH1A1KDM4E
SCHEMBL4033293 0.82 ESR1 (0.54) ESR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP disclosed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US disclosed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US disclosed
EP-1542976-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Wyeth (US) 2005-06-22 EP disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US disclosed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR ESR1 1028/4885THRB 1149/4885RXFP1 24/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885THRB 1499/4885RXFP1 26/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.